N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

C16H20N6O — CID 126918612

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CN(c3cc4c(nn3)CCC4)C2)n1
InChIInChI=1S/C16H20N6O/c1-23-15-5-6-17-16(19-15)18-8-11-9-22(10-11)14-7-12-3-2-4-13(12)20-21-14/h5-7,11H,2-4,8-10H2,1H3,(H,17,18,19)
InChIKeyXAGDSGMLBLXLEW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.31
Rot. Bonds5

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 126918612) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
PubChem CID126918612
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CN(c3cc4c(nn3)CCC4)C2)n1
InChIInChI=1S/C16H20N6O/c1-23-15-5-6-17-16(19-15)18-8-11-9-22(10-11)14-7-12-3-2-4-13(12)20-21-14/h5-7,11H,2-4,8-10H2,1H3,(H,17,18,19)
InChIKeyXAGDSGMLBLXLEW-UHFFFAOYSA-N
XLogP1.31
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (CID 126918612) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2CN(c3cc4c(nn3)CCC4)C2)n1.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is XAGDSGMLBLXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-23-15-5-6-17-16(19-15)18-8-11-9-22(10-11)14-7-12-3-2-4-13(12)20-21-14/h5-7,11H,2-4,8-10H2,1H3,(H,17,18,19).
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 126918612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).